Add unit test for parsePeakAbundanceMatrixQF()

ipb-halle · Aug 22, 2024 · 06638e5 · 06638e5
1 parent b47dad7
commit 06638e5
Showing 1 changed file with 16 additions and 0 deletions.
diff --git a/tests/testthat/test-readMSDial.R b/tests/testthat/test-readMSDial.R
@@ -1,6 +1,22 @@
 filePeakMatrix <- system.file("extdata/showcase/Metabolite_profile_showcase.txt", package = "MetFamily")
 qf <- readMSDial(filePeakMatrix)
 
+test_that("exampledata", {
+  data <- parsePeakAbundanceMatrixQF(qf, doPrecursorDeisotoping=TRUE,
+                                   mzDeviationInPPM_precursorDeisotoping=10, mzDeviationAbsolute_precursorDeisotoping=0.01,
+                                   maximumRtDifference=0.05,
+                                   progress=FALSE)
+
+  ## Test dimensions  
+  expect_equal(nrow(data$dataFrame1), 5403)
+  expect_equal(ncol(data$dataFrame1),   20)
+
+  ## Test some values
+  expect_true(all(summary(t(data$dataFrame1[1,c("TRI03", "TRI02", "TRI01", "LVS03", "LVS02", "LVS01")])) == c("Min.   : 236.0  ", "1st Qu.: 306.2  ", "Median : 357.5  ", "Mean   : 501.0  ", "3rd Qu.: 554.2  ", "Max.   :1146.0  ")))
+  expect_true(all(round(summary(data$dataFrame1[, "TRI01"])) == c(0,     809,    1537,    9818,    3207, 4407926)))
+})
+
+
 test_that("Sum of Intensities is correct", {
 
   sumQf <- sum(colSums(assay(qf)))